5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H11ClN2O4S2 — CID 65489280

IUPAC5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2c(C)ccnc2Cl)sc1C(=O)O
InChIInChI=1S/C12H11ClN2O4S2/c1-6-3-4-14-11(13)9(6)15-21(18,19)8-5-7(2)10(20-8)12(16)17/h3-5,15H,1-2H3,(H,16,17)
InChIKeyUVROWSTXUIUSFE-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.91
Rot. Bonds4

About 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 65489280) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID65489280
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2c(C)ccnc2Cl)sc1C(=O)O
InChIInChI=1S/C12H11ClN2O4S2/c1-6-3-4-14-11(13)9(6)15-21(18,19)8-5-7(2)10(20-8)12(16)17/h3-5,15H,1-2H3,(H,16,17)
InChIKeyUVROWSTXUIUSFE-UHFFFAOYSA-N
XLogP2.91
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43616094
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909
3-methyl-5-[(4-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43311197
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 65489280) is 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2c(C)ccnc2Cl)sc1C(=O)O.
What is the InChIKey of 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is UVROWSTXUIUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-6-3-4-14-11(13)9(6)15-21(18,19)8-5-7(2)10(20-8)12(16)17/h3-5,15H,1-2H3,(H,16,17).
What are the key properties of 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 346.82 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 65489280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).